4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid

C8H8N6O2S — CID 102973726

IUPAC4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid
SMILESCn1nnnc1SCc1ncncc1C(=O)O
InChIInChI=1S/C8H8N6O2S/c1-14-8(11-12-13-14)17-3-6-5(7(15)16)2-9-4-10-6/h2,4H,3H2,1H3,(H,15,16)
InChIKeyHQTFPIPBBVCGLS-UHFFFAOYSA-N
MW252.26 g/mol
LogP-0.01
Rot. Bonds4

About 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid

4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid (PubChem CID 102973726) has the molecular formula C8H8N6O2S and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid
PubChem CID102973726
Molecular FormulaC8H8N6O2S
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC Name4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid
SMILESCn1nnnc1SCc1ncncc1C(=O)O
InChIInChI=1S/C8H8N6O2S/c1-14-8(11-12-13-14)17-3-6-5(7(15)16)2-9-4-10-6/h2,4H,3H2,1H3,(H,15,16)
InChIKeyHQTFPIPBBVCGLS-UHFFFAOYSA-N
XLogP-0.01
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 23502600
4-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 102973769
2-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 115460822
2-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]benzoic acid
CID 43532400
4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 90787660
4-[(3-amino-2-methylphenyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 102973843
5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 130620136
4-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 102973824
4-[(4-iodopyrazol-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102973992
2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538122
6-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenanthridine
CID 23965795
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid (CID 102973726) is 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid is Cn1nnnc1SCc1ncncc1C(=O)O.
What is the InChIKey of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid?
The InChIKey is HQTFPIPBBVCGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2S/c1-14-8(11-12-13-14)17-3-6-5(7(15)16)2-9-4-10-6/h2,4H,3H2,1H3,(H,15,16).
What are the key properties of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid?
4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid has a molecular weight of 252.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102973726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).